USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot -33:sc= 2.58 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.0572 USER MOD Set 1.3: A 54 GLN : amide:sc= 1.38 K(o=5,f=-2.4) USER MOD Set 1.4: A 61 HIS : no HD1:sc= 1.12 K(o=5,f=-3.7!) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0238 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.12) USER MOD Single : A 6 TYR OH : rot 150:sc= -0.0015 USER MOD Single : A 7 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= 1.28 (180deg=-0.202) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= 2.48 (180deg=0.428) USER MOD Single : A 27 SER OG : rot 26:sc= 0.0223 USER MOD Single : A 29 GLN : amide:sc= -0.0905 K(o=-0.091,f=-1.9) USER MOD Single : A 36 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -168:sc= -0.414 (180deg=-1.27) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.202 (180deg=-0.706) USER MOD Single : A 50 THR OG1 : rot 140:sc= -0.0259 USER MOD Single : A 60 GLN : amide:sc=-0.00824 X(o=-0.0082,f=0) USER MOD Single : A 65 TYR OH : rot -72:sc= 1.96 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.774 8.017 -8.244 1.00 0.00 N ATOM 2 CA ALA A 1 -6.903 8.344 -7.105 1.00 0.00 C ATOM 3 C ALA A 1 -5.672 7.460 -7.183 1.00 0.00 C ATOM 4 O ALA A 1 -5.781 6.255 -7.412 1.00 0.00 O ATOM 5 CB ALA A 1 -7.610 8.172 -5.757 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.758 7.935 -7.916 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.709 8.770 -8.958 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.472 7.115 -8.664 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.625 9.396 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.922 8.426 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.478 8.830 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.933 7.137 -5.645 1.00 0.00 H new ATOM 13 N ASN A 2 -4.495 8.052 -7.013 1.00 0.00 N ATOM 14 CA ASN A 2 -3.191 7.403 -7.063 1.00 0.00 C ATOM 15 C ASN A 2 -3.019 6.603 -5.781 1.00 0.00 C ATOM 16 O ASN A 2 -2.864 7.197 -4.715 1.00 0.00 O ATOM 17 CB ASN A 2 -2.025 8.406 -7.251 1.00 0.00 C ATOM 18 CG ASN A 2 -2.387 9.704 -7.960 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.140 9.880 -9.146 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.004 10.644 -7.271 1.00 0.00 N ATOM 0 H ASN A 2 -4.422 9.052 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.157 6.750 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.616 8.649 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.232 7.914 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.275 11.516 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.211 10.499 -6.283 1.00 0.00 H new ATOM 27 N VAL A 3 -3.073 5.275 -5.858 1.00 0.00 N ATOM 28 CA VAL A 3 -2.924 4.409 -4.695 1.00 0.00 C ATOM 29 C VAL A 3 -1.630 3.666 -4.851 1.00 0.00 C ATOM 30 O VAL A 3 -1.582 2.601 -5.466 1.00 0.00 O ATOM 31 CB VAL A 3 -4.156 3.523 -4.485 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.002 2.535 -3.318 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.280 4.496 -4.152 1.00 0.00 C ATOM 0 H VAL A 3 -3.222 4.770 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.871 4.987 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.332 2.916 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.909 1.938 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.153 1.878 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.834 3.087 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.204 3.942 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.024 5.053 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.418 5.190 -4.981 1.00 0.00 H new ATOM 43 N GLU A 4 -0.574 4.274 -4.332 1.00 0.00 N ATOM 44 CA GLU A 4 0.715 3.642 -4.326 1.00 0.00 C ATOM 45 C GLU A 4 0.758 2.626 -3.201 1.00 0.00 C ATOM 46 O GLU A 4 0.329 2.913 -2.083 1.00 0.00 O ATOM 47 CB GLU A 4 1.827 4.695 -4.173 1.00 0.00 C ATOM 48 CG GLU A 4 2.052 5.556 -5.420 1.00 0.00 C ATOM 49 CD GLU A 4 3.328 6.392 -5.284 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.267 7.534 -4.765 1.00 0.00 O ATOM 51 OE2 GLU A 4 4.405 5.916 -5.705 1.00 0.00 O ATOM 0 H GLU A 4 -0.595 5.203 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 4 0.881 3.128 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.582 5.347 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.759 4.189 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.123 4.917 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.196 6.214 -5.572 1.00 0.00 H new ATOM 58 N ILE A 5 1.281 1.437 -3.493 1.00 0.00 N ATOM 59 CA ILE A 5 1.410 0.350 -2.555 1.00 0.00 C ATOM 60 C ILE A 5 2.787 -0.290 -2.717 1.00 0.00 C ATOM 61 O ILE A 5 3.126 -0.866 -3.753 1.00 0.00 O ATOM 62 CB ILE A 5 0.190 -0.586 -2.653 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.254 -1.553 -1.454 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.005 -1.351 -3.974 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.015 -2.390 -1.250 1.00 0.00 C ATOM 0 H ILE A 5 1.635 1.207 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 5 1.384 0.694 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.692 0.054 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.101 -2.226 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.445 -0.978 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.888 -1.973 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.103 -0.641 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.875 -1.983 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.886 -3.043 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.864 -1.728 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.198 -2.995 -2.138 1.00 0.00 H new ATOM 77 N TYR A 6 3.608 -0.139 -1.684 1.00 0.00 N ATOM 78 CA TYR A 6 4.939 -0.717 -1.616 1.00 0.00 C ATOM 79 C TYR A 6 4.811 -2.217 -1.371 1.00 0.00 C ATOM 80 O TYR A 6 3.921 -2.645 -0.635 1.00 0.00 O ATOM 81 CB TYR A 6 5.725 -0.009 -0.510 1.00 0.00 C ATOM 82 CG TYR A 6 6.284 1.330 -0.955 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.446 2.432 -1.222 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.668 1.453 -1.144 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.997 3.645 -1.677 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.235 2.668 -1.558 1.00 0.00 C ATOM 87 CZ TYR A 6 7.396 3.766 -1.836 1.00 0.00 C ATOM 88 OH TYR A 6 7.951 4.929 -2.256 1.00 0.00 O ATOM 0 H TYR A 6 3.359 0.400 -0.855 1.00 0.00 H new ATOM 0 HA TYR A 6 5.483 -0.580 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.076 0.141 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.544 -0.650 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.379 2.345 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.307 0.600 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.352 4.481 -1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.306 2.761 -1.663 1.00 0.00 H new ATOM 0 HH TYR A 6 8.850 5.019 -1.875 1.00 0.00 H new ATOM 98 N THR A 7 5.679 -3.013 -1.994 1.00 0.00 N ATOM 99 CA THR A 7 5.581 -4.467 -2.065 1.00 0.00 C ATOM 100 C THR A 7 6.980 -5.102 -2.155 1.00 0.00 C ATOM 101 O THR A 7 7.954 -4.390 -2.405 1.00 0.00 O ATOM 102 CB THR A 7 4.716 -4.842 -3.284 1.00 0.00 C ATOM 103 OG1 THR A 7 5.187 -4.254 -4.487 1.00 0.00 O ATOM 104 CG2 THR A 7 3.241 -4.458 -3.159 1.00 0.00 C ATOM 0 H THR A 7 6.498 -2.648 -2.480 1.00 0.00 H new ATOM 0 HA THR A 7 5.112 -4.852 -1.160 1.00 0.00 H new ATOM 0 HB THR A 7 4.801 -5.928 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.827 -3.543 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.709 -4.759 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.806 -4.962 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.156 -3.379 -3.031 1.00 0.00 H new ATOM 112 N LYS A 8 7.125 -6.420 -1.948 1.00 0.00 N ATOM 113 CA LYS A 8 8.383 -7.137 -2.214 1.00 0.00 C ATOM 114 C LYS A 8 8.065 -8.617 -2.449 1.00 0.00 C ATOM 115 O LYS A 8 6.917 -9.040 -2.300 1.00 0.00 O ATOM 116 CB LYS A 8 9.466 -6.959 -1.108 1.00 0.00 C ATOM 117 CG LYS A 8 9.035 -6.433 0.275 1.00 0.00 C ATOM 118 CD LYS A 8 10.122 -5.706 1.093 1.00 0.00 C ATOM 119 CE LYS A 8 11.484 -6.404 1.113 1.00 0.00 C ATOM 120 NZ LYS A 8 11.514 -7.549 2.038 1.00 0.00 N ATOM 0 H LYS A 8 6.378 -7.017 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 8 8.827 -6.695 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.947 -7.926 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.226 -6.282 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.196 -5.751 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.668 -7.274 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.250 -4.702 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.771 -5.595 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.729 -6.746 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.253 -5.687 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.456 -7.988 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.307 -7.221 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.800 -8.247 1.749 1.00 0.00 H new ATOM 134 N GLU A 9 9.102 -9.389 -2.775 1.00 0.00 N ATOM 135 CA GLU A 9 9.075 -10.774 -3.244 1.00 0.00 C ATOM 136 C GLU A 9 8.357 -11.736 -2.293 1.00 0.00 C ATOM 137 O GLU A 9 7.727 -12.692 -2.752 1.00 0.00 O ATOM 138 CB GLU A 9 10.499 -11.260 -3.614 1.00 0.00 C ATOM 139 CG GLU A 9 11.724 -10.797 -2.788 1.00 0.00 C ATOM 140 CD GLU A 9 12.008 -11.556 -1.498 1.00 0.00 C ATOM 141 OE1 GLU A 9 11.136 -11.574 -0.605 1.00 0.00 O ATOM 142 OE2 GLU A 9 13.164 -11.994 -1.289 1.00 0.00 O ATOM 0 H GLU A 9 10.056 -9.034 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 9 8.470 -10.781 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.485 -12.350 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.680 -10.970 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.607 -10.864 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.589 -9.744 -2.540 1.00 0.00 H new ATOM 149 N THR A 10 8.384 -11.462 -0.994 1.00 0.00 N ATOM 150 CA THR A 10 7.729 -12.242 0.040 1.00 0.00 C ATOM 151 C THR A 10 7.028 -11.232 0.925 1.00 0.00 C ATOM 152 O THR A 10 7.694 -10.431 1.584 1.00 0.00 O ATOM 153 CB THR A 10 8.737 -13.071 0.854 1.00 0.00 C ATOM 154 OG1 THR A 10 9.749 -13.631 0.039 1.00 0.00 O ATOM 155 CG2 THR A 10 8.021 -14.201 1.595 1.00 0.00 C ATOM 0 H THR A 10 8.885 -10.656 -0.621 1.00 0.00 H new ATOM 0 HA THR A 10 7.033 -12.961 -0.393 1.00 0.00 H new ATOM 0 HB THR A 10 9.204 -12.389 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.495 -13.000 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.747 -14.779 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.279 -13.779 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.526 -14.852 0.875 1.00 0.00 H new ATOM 163 N CYS A 11 5.701 -11.196 0.877 1.00 0.00 N ATOM 164 CA CYS A 11 4.910 -10.259 1.644 1.00 0.00 C ATOM 165 C CYS A 11 3.454 -10.748 1.637 1.00 0.00 C ATOM 166 O CYS A 11 2.655 -10.285 0.819 1.00 0.00 O ATOM 167 CB CYS A 11 5.061 -8.865 1.023 1.00 0.00 C ATOM 168 SG CYS A 11 4.204 -7.568 1.930 1.00 0.00 S ATOM 0 H CYS A 11 5.145 -11.825 0.297 1.00 0.00 H new ATOM 0 HA CYS A 11 5.244 -10.196 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.121 -8.616 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.684 -8.890 0.001 1.00 0.00 H new ATOM 173 N PRO A 12 3.057 -11.658 2.541 1.00 0.00 N ATOM 174 CA PRO A 12 1.688 -12.163 2.575 1.00 0.00 C ATOM 175 C PRO A 12 0.675 -11.056 2.898 1.00 0.00 C ATOM 176 O PRO A 12 -0.460 -11.101 2.430 1.00 0.00 O ATOM 177 CB PRO A 12 1.693 -13.286 3.612 1.00 0.00 C ATOM 178 CG PRO A 12 2.862 -12.941 4.523 1.00 0.00 C ATOM 179 CD PRO A 12 3.864 -12.287 3.574 1.00 0.00 C ATOM 0 HA PRO A 12 1.372 -12.537 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.754 -13.323 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.826 -14.261 3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.563 -12.263 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.278 -13.830 4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.478 -11.553 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.543 -13.026 3.148 1.00 0.00 H new ATOM 187 N TYR A 13 1.090 -9.998 3.599 1.00 0.00 N ATOM 188 CA TYR A 13 0.242 -8.841 3.871 1.00 0.00 C ATOM 189 C TYR A 13 0.081 -8.014 2.589 1.00 0.00 C ATOM 190 O TYR A 13 -0.980 -7.433 2.376 1.00 0.00 O ATOM 191 CB TYR A 13 0.876 -8.009 4.993 1.00 0.00 C ATOM 192 CG TYR A 13 0.853 -8.579 6.405 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.486 -9.913 6.693 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.204 -7.721 7.464 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.466 -10.368 8.022 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.144 -8.155 8.798 1.00 0.00 C ATOM 197 CZ TYR A 13 0.766 -9.484 9.079 1.00 0.00 C ATOM 198 OH TYR A 13 0.623 -9.908 10.362 1.00 0.00 O ATOM 0 H TYR A 13 2.027 -9.922 3.994 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.748 -9.163 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.916 -7.824 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.375 -7.041 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.220 -10.584 5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.525 -6.713 7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.220 -11.398 8.235 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.385 -7.476 9.603 1.00 0.00 H new ATOM 0 HH TYR A 13 0.870 -9.184 10.975 1.00 0.00 H new ATOM 208 N CYS A 14 1.074 -7.999 1.692 1.00 0.00 N ATOM 209 CA CYS A 14 0.935 -7.370 0.386 1.00 0.00 C ATOM 210 C CYS A 14 -0.088 -8.142 -0.427 1.00 0.00 C ATOM 211 O CYS A 14 -0.962 -7.517 -1.022 1.00 0.00 O ATOM 212 CB CYS A 14 2.258 -7.292 -0.379 1.00 0.00 C ATOM 213 SG CYS A 14 3.606 -6.375 0.408 1.00 0.00 S ATOM 0 H CYS A 14 1.988 -8.421 1.855 1.00 0.00 H new ATOM 0 HA CYS A 14 0.605 -6.344 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.603 -8.309 -0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.062 -6.839 -1.351 1.00 0.00 H new ATOM 218 N HIS A 15 -0.025 -9.478 -0.407 1.00 0.00 N ATOM 219 CA HIS A 15 -1.086 -10.305 -0.963 1.00 0.00 C ATOM 220 C HIS A 15 -2.432 -9.903 -0.358 1.00 0.00 C ATOM 221 O HIS A 15 -3.352 -9.675 -1.130 1.00 0.00 O ATOM 222 CB HIS A 15 -0.768 -11.800 -0.815 1.00 0.00 C ATOM 223 CG HIS A 15 -1.987 -12.685 -0.898 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.656 -13.059 -2.050 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.606 -13.279 0.165 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.653 -13.888 -1.691 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.640 -14.031 -0.354 1.00 0.00 N ATOM 0 H HIS A 15 0.753 -10.004 -0.010 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.155 -10.130 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.063 -12.092 -1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.273 -11.965 0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.339 -13.180 1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.350 -14.361 -2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.289 -14.602 0.188 1.00 0.00 H new ATOM 236 N ARG A 16 -2.566 -9.749 0.968 1.00 0.00 N ATOM 237 CA ARG A 16 -3.831 -9.341 1.580 1.00 0.00 C ATOM 238 C ARG A 16 -4.361 -8.044 0.987 1.00 0.00 C ATOM 239 O ARG A 16 -5.469 -8.026 0.456 1.00 0.00 O ATOM 240 CB ARG A 16 -3.737 -9.225 3.114 1.00 0.00 C ATOM 241 CG ARG A 16 -3.472 -10.558 3.815 1.00 0.00 C ATOM 242 CD ARG A 16 -4.139 -10.643 5.193 1.00 0.00 C ATOM 243 NE ARG A 16 -4.243 -12.047 5.586 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.404 -12.754 6.338 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.589 -12.188 7.226 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.393 -14.062 6.161 1.00 0.00 N ATOM 0 H ARG A 16 -1.810 -9.902 1.635 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.539 -10.137 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.941 -8.526 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.666 -8.802 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.836 -11.372 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.397 -10.698 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.556 -10.089 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.128 -10.187 5.161 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.062 -12.547 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.593 -11.175 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.961 -12.767 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.011 -14.488 5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.766 -14.646 6.715 1.00 0.00 H new ATOM 260 N ALA A 17 -3.596 -6.955 1.075 1.00 0.00 N ATOM 261 CA ALA A 17 -4.083 -5.664 0.611 1.00 0.00 C ATOM 262 C ALA A 17 -4.362 -5.712 -0.891 1.00 0.00 C ATOM 263 O ALA A 17 -5.407 -5.243 -1.325 1.00 0.00 O ATOM 264 CB ALA A 17 -3.054 -4.568 0.916 1.00 0.00 C ATOM 0 H ALA A 17 -2.651 -6.944 1.458 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.011 -5.434 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.430 -3.607 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.883 -4.519 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.117 -4.798 0.410 1.00 0.00 H new ATOM 270 N LYS A 18 -3.454 -6.264 -1.702 1.00 0.00 N ATOM 271 CA LYS A 18 -3.641 -6.291 -3.151 1.00 0.00 C ATOM 272 C LYS A 18 -4.801 -7.191 -3.554 1.00 0.00 C ATOM 273 O LYS A 18 -5.504 -6.848 -4.502 1.00 0.00 O ATOM 274 CB LYS A 18 -2.352 -6.697 -3.869 1.00 0.00 C ATOM 275 CG LYS A 18 -1.281 -5.606 -3.708 1.00 0.00 C ATOM 276 CD LYS A 18 -0.068 -5.878 -4.592 1.00 0.00 C ATOM 277 CE LYS A 18 0.810 -7.031 -4.091 1.00 0.00 C ATOM 278 NZ LYS A 18 1.730 -7.492 -5.148 1.00 0.00 N ATOM 0 H LYS A 18 -2.588 -6.695 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.893 -5.277 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.984 -7.639 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.555 -6.863 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.708 -4.636 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.968 -5.553 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.409 -6.104 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.536 -4.973 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.382 -6.706 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.179 -7.859 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.559 -8.499 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.568 -6.940 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.713 -7.363 -4.834 1.00 0.00 H new ATOM 292 N ALA A 19 -5.056 -8.277 -2.822 1.00 0.00 N ATOM 293 CA ALA A 19 -6.251 -9.077 -3.014 1.00 0.00 C ATOM 294 C ALA A 19 -7.475 -8.209 -2.740 1.00 0.00 C ATOM 295 O ALA A 19 -8.410 -8.236 -3.530 1.00 0.00 O ATOM 296 CB ALA A 19 -6.226 -10.320 -2.116 1.00 0.00 C ATOM 0 H ALA A 19 -4.439 -8.619 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.294 -9.433 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.132 -10.904 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.354 -10.928 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.174 -10.013 -1.071 1.00 0.00 H new ATOM 302 N LEU A 20 -7.461 -7.395 -1.678 1.00 0.00 N ATOM 303 CA LEU A 20 -8.569 -6.507 -1.339 1.00 0.00 C ATOM 304 C LEU A 20 -8.833 -5.531 -2.484 1.00 0.00 C ATOM 305 O LEU A 20 -9.966 -5.385 -2.930 1.00 0.00 O ATOM 306 CB LEU A 20 -8.270 -5.730 -0.043 1.00 0.00 C ATOM 307 CG LEU A 20 -9.576 -5.356 0.678 1.00 0.00 C ATOM 308 CD1 LEU A 20 -9.964 -6.503 1.612 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.410 -4.071 1.491 1.00 0.00 C ATOM 0 H LEU A 20 -6.676 -7.337 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.458 -7.117 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.646 -6.335 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.706 -4.827 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.354 -5.187 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.889 -6.252 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.109 -7.413 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.170 -6.662 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.349 -3.832 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.629 -4.211 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.134 -3.253 0.826 1.00 0.00 H new ATOM 321 N LEU A 21 -7.781 -4.873 -2.974 1.00 0.00 N ATOM 322 CA LEU A 21 -7.858 -3.875 -4.034 1.00 0.00 C ATOM 323 C LEU A 21 -8.339 -4.499 -5.340 1.00 0.00 C ATOM 324 O LEU A 21 -9.208 -3.941 -6.010 1.00 0.00 O ATOM 325 CB LEU A 21 -6.475 -3.221 -4.225 1.00 0.00 C ATOM 326 CG LEU A 21 -5.964 -2.395 -3.028 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.579 -1.834 -3.353 1.00 0.00 C ATOM 328 CD2 LEU A 21 -6.887 -1.241 -2.644 1.00 0.00 C ATOM 0 H LEU A 21 -6.831 -5.025 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.581 -3.112 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.748 -4.004 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.516 -2.573 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.929 -3.073 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.216 -1.249 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.890 -2.656 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.642 -1.196 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.464 -0.704 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.989 -0.560 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.867 -1.634 -2.374 1.00 0.00 H new ATOM 340 N SER A 22 -7.815 -5.673 -5.682 1.00 0.00 N ATOM 341 CA SER A 22 -8.263 -6.454 -6.819 1.00 0.00 C ATOM 342 C SER A 22 -9.748 -6.781 -6.650 1.00 0.00 C ATOM 343 O SER A 22 -10.522 -6.637 -7.595 1.00 0.00 O ATOM 344 CB SER A 22 -7.387 -7.709 -6.922 1.00 0.00 C ATOM 345 OG SER A 22 -7.768 -8.489 -8.031 1.00 0.00 O ATOM 0 H SER A 22 -7.054 -6.111 -5.164 1.00 0.00 H new ATOM 0 HA SER A 22 -8.161 -5.898 -7.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.340 -7.422 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.476 -8.297 -6.009 1.00 0.00 H new ATOM 0 HG SER A 22 -7.198 -9.285 -8.083 1.00 0.00 H new ATOM 351 N SER A 23 -10.173 -7.158 -5.446 1.00 0.00 N ATOM 352 CA SER A 23 -11.539 -7.545 -5.150 1.00 0.00 C ATOM 353 C SER A 23 -12.465 -6.330 -5.221 1.00 0.00 C ATOM 354 O SER A 23 -13.619 -6.476 -5.622 1.00 0.00 O ATOM 355 CB SER A 23 -11.568 -8.235 -3.781 1.00 0.00 C ATOM 356 OG SER A 23 -12.680 -9.092 -3.662 1.00 0.00 O ATOM 0 H SER A 23 -9.558 -7.202 -4.634 1.00 0.00 H new ATOM 0 HA SER A 23 -11.906 -8.252 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.650 -8.805 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.600 -7.483 -2.993 1.00 0.00 H new ATOM 0 HG SER A 23 -12.671 -9.519 -2.780 1.00 0.00 H new ATOM 362 N LYS A 24 -11.981 -5.120 -4.903 1.00 0.00 N ATOM 363 CA LYS A 24 -12.747 -3.901 -5.114 1.00 0.00 C ATOM 364 C LYS A 24 -12.720 -3.469 -6.586 1.00 0.00 C ATOM 365 O LYS A 24 -13.570 -2.679 -7.001 1.00 0.00 O ATOM 366 CB LYS A 24 -12.225 -2.818 -4.154 1.00 0.00 C ATOM 367 CG LYS A 24 -12.664 -2.963 -2.683 1.00 0.00 C ATOM 368 CD LYS A 24 -14.186 -3.108 -2.544 1.00 0.00 C ATOM 369 CE LYS A 24 -14.720 -2.911 -1.123 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.830 -1.490 -0.752 1.00 0.00 N ATOM 0 H LYS A 24 -11.057 -4.968 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.799 -4.077 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.136 -2.820 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.555 -1.845 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.176 -3.833 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.331 -2.092 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.668 -2.385 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.476 -4.099 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.699 -3.382 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.061 -3.417 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.660 -1.354 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.972 -1.197 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.935 -0.914 -1.611 1.00 0.00 H new ATOM 384 N GLY A 25 -11.804 -4.013 -7.390 1.00 0.00 N ATOM 385 CA GLY A 25 -11.716 -3.791 -8.822 1.00 0.00 C ATOM 386 C GLY A 25 -11.197 -2.390 -9.101 1.00 0.00 C ATOM 387 O GLY A 25 -11.794 -1.649 -9.880 1.00 0.00 O ATOM 0 H GLY A 25 -11.080 -4.642 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.053 -4.530 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.697 -3.922 -9.279 1.00 0.00 H new ATOM 391 N VAL A 26 -10.115 -2.009 -8.422 1.00 0.00 N ATOM 392 CA VAL A 26 -9.612 -0.634 -8.428 1.00 0.00 C ATOM 393 C VAL A 26 -8.363 -0.476 -9.303 1.00 0.00 C ATOM 394 O VAL A 26 -7.774 -1.464 -9.761 1.00 0.00 O ATOM 395 CB VAL A 26 -9.371 -0.175 -6.978 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.630 -0.377 -6.123 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.156 -0.872 -6.352 1.00 0.00 C ATOM 0 H VAL A 26 -9.561 -2.647 -7.851 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.366 0.012 -8.878 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.148 0.892 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.434 -0.045 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.452 0.204 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.899 -1.433 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.021 -0.520 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.318 -1.950 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.264 -0.642 -6.935 1.00 0.00 H new ATOM 407 N SER A 27 -7.943 0.771 -9.506 1.00 0.00 N ATOM 408 CA SER A 27 -6.676 1.159 -10.094 1.00 0.00 C ATOM 409 C SER A 27 -5.729 1.386 -8.916 1.00 0.00 C ATOM 410 O SER A 27 -6.072 2.104 -7.975 1.00 0.00 O ATOM 411 CB SER A 27 -6.864 2.401 -10.985 1.00 0.00 C ATOM 412 OG SER A 27 -7.413 3.519 -10.305 1.00 0.00 O ATOM 0 H SER A 27 -8.513 1.577 -9.248 1.00 0.00 H new ATOM 0 HA SER A 27 -6.260 0.399 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.899 2.683 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.514 2.141 -11.821 1.00 0.00 H new ATOM 0 HG SER A 27 -7.203 3.457 -9.350 1.00 0.00 H new ATOM 418 N PHE A 28 -4.562 0.752 -8.907 1.00 0.00 N ATOM 419 CA PHE A 28 -3.536 0.968 -7.891 1.00 0.00 C ATOM 420 C PHE A 28 -2.148 0.845 -8.533 1.00 0.00 C ATOM 421 O PHE A 28 -2.032 0.443 -9.696 1.00 0.00 O ATOM 422 CB PHE A 28 -3.793 0.036 -6.696 1.00 0.00 C ATOM 423 CG PHE A 28 -3.742 -1.458 -6.971 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.871 -2.118 -7.499 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.595 -2.206 -6.647 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.865 -3.512 -7.676 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.592 -3.602 -6.820 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.728 -4.257 -7.326 1.00 0.00 C ATOM 0 H PHE A 28 -4.298 0.065 -9.613 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.578 1.978 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.060 0.265 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.774 0.273 -6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.747 -1.547 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.716 -1.708 -6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.734 -4.009 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.712 -4.173 -6.563 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.726 -5.330 -7.445 1.00 0.00 H new ATOM 438 N GLN A 29 -1.087 1.199 -7.815 1.00 0.00 N ATOM 439 CA GLN A 29 0.281 1.290 -8.310 1.00 0.00 C ATOM 440 C GLN A 29 1.173 0.504 -7.374 1.00 0.00 C ATOM 441 O GLN A 29 1.204 0.762 -6.179 1.00 0.00 O ATOM 442 CB GLN A 29 0.695 2.763 -8.445 1.00 0.00 C ATOM 443 CG GLN A 29 2.202 3.079 -8.366 1.00 0.00 C ATOM 444 CD GLN A 29 3.054 2.337 -9.390 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.538 1.702 -10.306 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.364 2.408 -9.282 1.00 0.00 N ATOM 0 H GLN A 29 -1.162 1.441 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 29 0.372 0.858 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.321 3.133 -9.400 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.189 3.330 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.344 4.151 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.561 2.834 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.785 2.937 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.958 1.934 -9.962 1.00 0.00 H new ATOM 455 N GLU A 30 1.907 -0.444 -7.930 1.00 0.00 N ATOM 456 CA GLU A 30 2.675 -1.422 -7.173 1.00 0.00 C ATOM 457 C GLU A 30 4.139 -1.033 -7.276 1.00 0.00 C ATOM 458 O GLU A 30 4.647 -0.863 -8.385 1.00 0.00 O ATOM 459 CB GLU A 30 2.451 -2.846 -7.711 1.00 0.00 C ATOM 460 CG GLU A 30 1.065 -3.400 -7.352 1.00 0.00 C ATOM 461 CD GLU A 30 0.923 -4.888 -7.694 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.738 -5.694 -7.189 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.059 -5.286 -8.369 1.00 0.00 O ATOM 0 H GLU A 30 1.989 -0.559 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 30 2.352 -1.425 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.568 -2.844 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.218 -3.508 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.884 -3.256 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.301 -2.833 -7.884 1.00 0.00 H new ATOM 470 N LEU A 31 4.823 -0.914 -6.140 1.00 0.00 N ATOM 471 CA LEU A 31 6.220 -0.494 -6.074 1.00 0.00 C ATOM 472 C LEU A 31 7.038 -1.645 -5.502 1.00 0.00 C ATOM 473 O LEU A 31 6.791 -2.018 -4.351 1.00 0.00 O ATOM 474 CB LEU A 31 6.361 0.764 -5.219 1.00 0.00 C ATOM 475 CG LEU A 31 5.589 1.926 -5.863 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.359 2.306 -5.048 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.507 3.118 -6.019 1.00 0.00 C ATOM 0 H LEU A 31 4.415 -1.110 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 31 6.587 -0.248 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.981 0.576 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.414 1.028 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 31 5.241 1.602 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.840 3.131 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.690 1.448 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.666 2.611 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.959 3.942 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.874 3.425 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.350 2.847 -6.654 1.00 0.00 H new ATOM 489 N PRO A 32 7.943 -2.270 -6.270 1.00 0.00 N ATOM 490 CA PRO A 32 8.729 -3.386 -5.783 1.00 0.00 C ATOM 491 C PRO A 32 9.877 -2.865 -4.933 1.00 0.00 C ATOM 492 O PRO A 32 10.445 -1.811 -5.211 1.00 0.00 O ATOM 493 CB PRO A 32 9.279 -4.069 -7.029 1.00 0.00 C ATOM 494 CG PRO A 32 9.411 -2.932 -8.042 1.00 0.00 C ATOM 495 CD PRO A 32 8.395 -1.875 -7.594 1.00 0.00 C ATOM 0 HA PRO A 32 8.139 -4.069 -5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.241 -4.544 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.606 -4.848 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.423 -2.527 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.199 -3.279 -9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.851 -0.885 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.558 -1.823 -8.290 1.00 0.00 H new ATOM 503 N ILE A 33 10.255 -3.628 -3.919 1.00 0.00 N ATOM 504 CA ILE A 33 11.385 -3.364 -3.036 1.00 0.00 C ATOM 505 C ILE A 33 12.332 -4.574 -3.029 1.00 0.00 C ATOM 506 O ILE A 33 13.421 -4.532 -2.452 1.00 0.00 O ATOM 507 CB ILE A 33 10.790 -2.958 -1.673 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.904 -1.698 -1.812 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.838 -2.747 -0.575 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.683 -0.406 -2.114 1.00 0.00 C ATOM 0 H ILE A 33 9.761 -4.487 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 33 12.020 -2.542 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 33 10.180 -3.804 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.178 -1.865 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.340 -1.561 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.341 -2.464 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.395 -3.671 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.525 -1.956 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.986 0.428 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.390 -0.211 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.225 -0.519 -3.053 1.00 0.00 H new ATOM 522 N ASP A 34 11.933 -5.656 -3.695 1.00 0.00 N ATOM 523 CA ASP A 34 12.732 -6.815 -4.022 1.00 0.00 C ATOM 524 C ASP A 34 13.805 -6.367 -5.005 1.00 0.00 C ATOM 525 O ASP A 34 13.499 -5.895 -6.101 1.00 0.00 O ATOM 526 CB ASP A 34 11.816 -7.894 -4.604 1.00 0.00 C ATOM 527 CG ASP A 34 10.928 -7.455 -5.765 1.00 0.00 C ATOM 528 OD1 ASP A 34 9.924 -6.763 -5.472 1.00 0.00 O ATOM 529 OD2 ASP A 34 11.202 -7.860 -6.917 1.00 0.00 O ATOM 0 H ASP A 34 10.977 -5.743 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 34 13.221 -7.243 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.434 -8.727 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.178 -8.272 -3.805 1.00 0.00 H new ATOM 534 N GLY A 35 15.064 -6.402 -4.572 1.00 0.00 N ATOM 535 CA GLY A 35 16.217 -5.886 -5.301 1.00 0.00 C ATOM 536 C GLY A 35 16.296 -4.359 -5.299 1.00 0.00 C ATOM 537 O GLY A 35 17.389 -3.803 -5.223 1.00 0.00 O ATOM 0 H GLY A 35 15.316 -6.806 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.128 -6.291 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.176 -6.240 -6.331 1.00 0.00 H new ATOM 541 N ASN A 36 15.156 -3.661 -5.286 1.00 0.00 N ATOM 542 CA ASN A 36 15.102 -2.206 -5.325 1.00 0.00 C ATOM 543 C ASN A 36 15.288 -1.663 -3.905 1.00 0.00 C ATOM 544 O ASN A 36 14.357 -1.232 -3.218 1.00 0.00 O ATOM 545 CB ASN A 36 13.803 -1.715 -5.982 1.00 0.00 C ATOM 546 CG ASN A 36 13.579 -0.228 -5.713 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.503 0.581 -5.739 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.371 0.149 -5.344 1.00 0.00 N ATOM 0 H ASN A 36 14.237 -4.101 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 36 15.912 -1.823 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.846 -1.891 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.959 -2.288 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.198 1.118 -5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.609 -0.529 -5.325 1.00 0.00 H new ATOM 555 N ALA A 37 16.526 -1.748 -3.424 1.00 0.00 N ATOM 556 CA ALA A 37 16.934 -1.072 -2.209 1.00 0.00 C ATOM 557 C ALA A 37 16.918 0.454 -2.372 1.00 0.00 C ATOM 558 O ALA A 37 16.903 1.146 -1.360 1.00 0.00 O ATOM 559 CB ALA A 37 18.287 -1.588 -1.722 1.00 0.00 C ATOM 0 H ALA A 37 17.268 -2.288 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 37 16.201 -1.306 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.569 -1.064 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.218 -2.657 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.041 -1.412 -2.489 1.00 0.00 H new ATOM 565 N ALA A 38 16.934 1.002 -3.596 1.00 0.00 N ATOM 566 CA ALA A 38 16.960 2.449 -3.793 1.00 0.00 C ATOM 567 C ALA A 38 15.700 3.074 -3.194 1.00 0.00 C ATOM 568 O ALA A 38 15.784 3.907 -2.289 1.00 0.00 O ATOM 569 CB ALA A 38 17.113 2.799 -5.278 1.00 0.00 C ATOM 0 H ALA A 38 16.929 0.461 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 38 17.827 2.862 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.129 3.882 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.044 2.378 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.274 2.385 -5.838 1.00 0.00 H new ATOM 575 N LYS A 39 14.517 2.639 -3.650 1.00 0.00 N ATOM 576 CA LYS A 39 13.275 3.195 -3.108 1.00 0.00 C ATOM 577 C LYS A 39 12.997 2.652 -1.718 1.00 0.00 C ATOM 578 O LYS A 39 12.177 3.218 -1.011 1.00 0.00 O ATOM 579 CB LYS A 39 12.075 2.995 -4.034 1.00 0.00 C ATOM 580 CG LYS A 39 11.082 4.167 -3.931 1.00 0.00 C ATOM 581 CD LYS A 39 9.801 3.894 -4.725 1.00 0.00 C ATOM 582 CE LYS A 39 10.067 3.759 -6.221 1.00 0.00 C ATOM 583 NZ LYS A 39 10.204 5.070 -6.884 1.00 0.00 N ATOM 0 H LYS A 39 14.396 1.927 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 39 13.424 4.272 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.420 2.899 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.569 2.064 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.832 4.341 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.553 5.077 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.335 2.980 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.091 4.704 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.977 3.179 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.252 3.203 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.384 4.929 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.327 5.615 -6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.998 5.592 -6.461 1.00 0.00 H new ATOM 597 N ARG A 40 13.654 1.569 -1.301 1.00 0.00 N ATOM 598 CA ARG A 40 13.611 1.142 0.097 1.00 0.00 C ATOM 599 C ARG A 40 14.098 2.280 0.983 1.00 0.00 C ATOM 600 O ARG A 40 13.400 2.645 1.922 1.00 0.00 O ATOM 601 CB ARG A 40 14.443 -0.122 0.321 1.00 0.00 C ATOM 602 CG ARG A 40 14.096 -0.812 1.648 1.00 0.00 C ATOM 603 CD ARG A 40 14.934 -2.076 1.871 1.00 0.00 C ATOM 604 NE ARG A 40 14.802 -3.042 0.762 1.00 0.00 N ATOM 605 CZ ARG A 40 15.281 -4.289 0.761 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.799 -4.809 1.864 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.227 -5.024 -0.341 1.00 0.00 N ATOM 0 H ARG A 40 14.219 0.975 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 40 12.582 0.896 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.277 -0.816 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.502 0.135 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.260 -0.118 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.037 -1.072 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.982 -1.798 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.628 -2.552 2.802 1.00 0.00 H new ATOM 0 HE ARG A 40 14.304 -2.731 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.834 -4.257 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.163 -5.762 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.819 -4.638 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.594 -5.976 -0.338 1.00 0.00 H new ATOM 621 N GLU A 41 15.256 2.864 0.681 1.00 0.00 N ATOM 622 CA GLU A 41 15.775 3.946 1.504 1.00 0.00 C ATOM 623 C GLU A 41 14.925 5.203 1.349 1.00 0.00 C ATOM 624 O GLU A 41 14.783 5.975 2.296 1.00 0.00 O ATOM 625 CB GLU A 41 17.234 4.244 1.158 1.00 0.00 C ATOM 626 CG GLU A 41 18.171 3.044 1.321 1.00 0.00 C ATOM 627 CD GLU A 41 17.994 2.305 2.648 1.00 0.00 C ATOM 628 OE1 GLU A 41 17.194 1.347 2.715 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.739 2.620 3.607 1.00 0.00 O ATOM 0 H GLU A 41 15.842 2.609 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 41 15.728 3.625 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.288 4.596 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.588 5.057 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.001 2.347 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 41 19.203 3.386 1.240 1.00 0.00 H new ATOM 636 N GLU A 42 14.318 5.404 0.181 1.00 0.00 N ATOM 637 CA GLU A 42 13.360 6.479 -0.024 1.00 0.00 C ATOM 638 C GLU A 42 12.124 6.276 0.867 1.00 0.00 C ATOM 639 O GLU A 42 11.603 7.227 1.449 1.00 0.00 O ATOM 640 CB GLU A 42 12.998 6.530 -1.511 1.00 0.00 C ATOM 641 CG GLU A 42 12.338 7.840 -1.932 1.00 0.00 C ATOM 642 CD GLU A 42 13.354 8.971 -2.101 1.00 0.00 C ATOM 643 OE1 GLU A 42 14.047 9.342 -1.124 1.00 0.00 O ATOM 644 OE2 GLU A 42 13.471 9.536 -3.212 1.00 0.00 O ATOM 0 H GLU A 42 14.478 4.827 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 42 13.796 7.436 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.902 6.381 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.326 5.703 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.804 7.691 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.597 8.128 -1.186 1.00 0.00 H new ATOM 651 N MET A 43 11.682 5.028 1.045 1.00 0.00 N ATOM 652 CA MET A 43 10.544 4.641 1.858 1.00 0.00 C ATOM 653 C MET A 43 10.733 4.998 3.327 1.00 0.00 C ATOM 654 O MET A 43 9.737 5.115 4.042 1.00 0.00 O ATOM 655 CB MET A 43 10.263 3.140 1.719 1.00 0.00 C ATOM 656 CG MET A 43 8.809 2.749 1.995 1.00 0.00 C ATOM 657 SD MET A 43 8.504 0.972 2.231 1.00 0.00 S ATOM 658 CE MET A 43 9.867 0.194 1.310 1.00 0.00 C ATOM 0 H MET A 43 12.135 4.228 0.602 1.00 0.00 H new ATOM 0 HA MET A 43 9.688 5.205 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.528 2.823 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.911 2.595 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.472 3.279 2.886 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.194 3.098 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.671 -0.873 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.947 0.650 0.323 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.801 0.338 1.853 1.00 0.00 H new ATOM 668 N ILE A 44 11.968 5.233 3.767 1.00 0.00 N ATOM 669 CA ILE A 44 12.247 5.736 5.106 1.00 0.00 C ATOM 670 C ILE A 44 11.609 7.120 5.162 1.00 0.00 C ATOM 671 O ILE A 44 10.694 7.337 5.950 1.00 0.00 O ATOM 672 CB ILE A 44 13.766 5.790 5.406 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.439 4.402 5.295 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.004 6.373 6.810 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.967 4.464 5.216 1.00 0.00 C ATOM 0 H ILE A 44 12.803 5.079 3.202 1.00 0.00 H new ATOM 0 HA ILE A 44 11.836 5.074 5.869 1.00 0.00 H new ATOM 0 HB ILE A 44 14.221 6.434 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.153 3.799 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.058 3.893 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.074 6.407 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.593 7.381 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.514 5.744 7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.369 3.454 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.263 5.039 4.339 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.359 4.944 6.113 1.00 0.00 H new ATOM 687 N LYS A 45 12.002 8.026 4.265 1.00 0.00 N ATOM 688 CA LYS A 45 11.423 9.360 4.194 1.00 0.00 C ATOM 689 C LYS A 45 9.922 9.295 3.944 1.00 0.00 C ATOM 690 O LYS A 45 9.157 10.034 4.563 1.00 0.00 O ATOM 691 CB LYS A 45 12.076 10.181 3.076 1.00 0.00 C ATOM 692 CG LYS A 45 13.605 10.176 3.019 1.00 0.00 C ATOM 693 CD LYS A 45 14.261 10.740 4.290 1.00 0.00 C ATOM 694 CE LYS A 45 15.735 11.120 4.078 1.00 0.00 C ATOM 695 NZ LYS A 45 15.928 12.056 2.947 1.00 0.00 N ATOM 0 H LYS A 45 12.729 7.852 3.571 1.00 0.00 H new ATOM 0 HA LYS A 45 11.607 9.841 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.699 9.814 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.743 11.214 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.953 9.155 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.932 10.761 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.707 11.619 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.192 10.001 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.124 11.574 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.317 10.216 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.820 12.575 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.963 11.521 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.137 12.730 2.915 1.00 0.00 H new ATOM 709 N ARG A 46 9.492 8.438 3.019 1.00 0.00 N ATOM 710 CA ARG A 46 8.107 8.411 2.559 1.00 0.00 C ATOM 711 C ARG A 46 7.166 7.874 3.628 1.00 0.00 C ATOM 712 O ARG A 46 6.031 8.338 3.686 1.00 0.00 O ATOM 713 CB ARG A 46 7.961 7.660 1.215 1.00 0.00 C ATOM 714 CG ARG A 46 7.331 8.533 0.110 1.00 0.00 C ATOM 715 CD ARG A 46 7.111 7.694 -1.160 1.00 0.00 C ATOM 716 NE ARG A 46 6.176 8.283 -2.141 1.00 0.00 N ATOM 717 CZ ARG A 46 6.488 8.992 -3.235 1.00 0.00 C ATOM 718 NH1 ARG A 46 7.688 9.546 -3.360 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.595 9.144 -4.209 1.00 0.00 N ATOM 0 H ARG A 46 10.092 7.746 2.570 1.00 0.00 H new ATOM 0 HA ARG A 46 7.810 9.443 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.942 7.318 0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.347 6.772 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.381 8.942 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.981 9.380 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.074 7.538 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.738 6.712 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 46 5.182 8.133 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.381 9.434 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.917 10.084 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.671 8.721 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.834 9.684 -5.041 1.00 0.00 H new ATOM 733 N SER A 47 7.585 6.914 4.462 1.00 0.00 N ATOM 734 CA SER A 47 6.672 6.226 5.378 1.00 0.00 C ATOM 735 C SER A 47 7.052 6.358 6.849 1.00 0.00 C ATOM 736 O SER A 47 6.198 6.143 7.709 1.00 0.00 O ATOM 737 CB SER A 47 6.571 4.740 5.012 1.00 0.00 C ATOM 738 OG SER A 47 7.757 4.014 5.291 1.00 0.00 O ATOM 0 H SER A 47 8.553 6.597 4.520 1.00 0.00 H new ATOM 0 HA SER A 47 5.708 6.719 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.742 4.293 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.338 4.649 3.951 1.00 0.00 H new ATOM 0 HG SER A 47 8.535 4.596 5.163 1.00 0.00 H new ATOM 744 N GLY A 48 8.314 6.656 7.157 1.00 0.00 N ATOM 745 CA GLY A 48 8.844 6.574 8.512 1.00 0.00 C ATOM 746 C GLY A 48 8.944 5.129 9.023 1.00 0.00 C ATOM 747 O GLY A 48 9.196 4.932 10.214 1.00 0.00 O ATOM 0 H GLY A 48 8.999 6.963 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.832 7.034 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.206 7.149 9.183 1.00 0.00 H new ATOM 751 N ARG A 49 8.728 4.115 8.170 1.00 0.00 N ATOM 752 CA ARG A 49 8.600 2.710 8.556 1.00 0.00 C ATOM 753 C ARG A 49 9.490 1.791 7.732 1.00 0.00 C ATOM 754 O ARG A 49 10.187 0.974 8.320 1.00 0.00 O ATOM 755 CB ARG A 49 7.146 2.250 8.433 1.00 0.00 C ATOM 756 CG ARG A 49 6.269 2.700 9.599 1.00 0.00 C ATOM 757 CD ARG A 49 4.975 1.880 9.617 1.00 0.00 C ATOM 758 NE ARG A 49 4.168 2.191 10.801 1.00 0.00 N ATOM 759 CZ ARG A 49 3.190 1.429 11.307 1.00 0.00 C ATOM 760 NH1 ARG A 49 2.884 0.251 10.770 1.00 0.00 N ATOM 761 NH2 ARG A 49 2.517 1.848 12.368 1.00 0.00 N ATOM 0 H ARG A 49 8.636 4.260 7.165 1.00 0.00 H new ATOM 0 HA ARG A 49 8.926 2.644 9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.728 2.635 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.121 1.162 8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.805 2.573 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.038 3.761 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.398 2.086 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.215 0.817 9.606 1.00 0.00 H new ATOM 0 HE ARG A 49 4.370 3.067 11.283 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.398 -0.088 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.135 -0.313 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.745 2.746 12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.771 1.273 12.759 1.00 0.00 H new ATOM 775 N THR A 50 9.422 1.862 6.403 1.00 0.00 N ATOM 776 CA THR A 50 10.182 1.028 5.472 1.00 0.00 C ATOM 777 C THR A 50 9.586 -0.392 5.369 1.00 0.00 C ATOM 778 O THR A 50 10.141 -1.274 4.716 1.00 0.00 O ATOM 779 CB THR A 50 11.687 1.074 5.822 1.00 0.00 C ATOM 780 OG1 THR A 50 12.048 2.378 6.245 1.00 0.00 O ATOM 781 CG2 THR A 50 12.556 0.765 4.611 1.00 0.00 C ATOM 0 H THR A 50 8.813 2.527 5.927 1.00 0.00 H new ATOM 0 HA THR A 50 10.096 1.433 4.464 1.00 0.00 H new ATOM 0 HB THR A 50 11.847 0.332 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.672 2.317 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.607 0.807 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.321 -0.232 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.363 1.499 3.828 1.00 0.00 H new ATOM 789 N THR A 51 8.431 -0.611 5.995 1.00 0.00 N ATOM 790 CA THR A 51 7.734 -1.885 6.054 1.00 0.00 C ATOM 791 C THR A 51 6.843 -2.051 4.829 1.00 0.00 C ATOM 792 O THR A 51 6.671 -1.118 4.036 1.00 0.00 O ATOM 793 CB THR A 51 6.928 -1.917 7.367 1.00 0.00 C ATOM 794 OG1 THR A 51 6.000 -0.852 7.413 1.00 0.00 O ATOM 795 CG2 THR A 51 7.835 -1.774 8.595 1.00 0.00 C ATOM 0 H THR A 51 7.938 0.129 6.495 1.00 0.00 H new ATOM 0 HA THR A 51 8.436 -2.719 6.046 1.00 0.00 H new ATOM 0 HB THR A 51 6.419 -2.881 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.498 -0.892 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.229 -1.801 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.553 -2.594 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.369 -0.825 8.544 1.00 0.00 H new ATOM 803 N VAL A 52 6.252 -3.238 4.685 1.00 0.00 N ATOM 804 CA VAL A 52 5.395 -3.560 3.553 1.00 0.00 C ATOM 805 C VAL A 52 4.198 -4.429 3.999 1.00 0.00 C ATOM 806 O VAL A 52 4.301 -5.133 5.006 1.00 0.00 O ATOM 807 CB VAL A 52 6.220 -4.301 2.485 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.979 -3.303 1.597 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.129 -5.381 3.091 1.00 0.00 C ATOM 0 H VAL A 52 6.357 -4.001 5.353 1.00 0.00 H new ATOM 0 HA VAL A 52 5.001 -2.634 3.134 1.00 0.00 H new ATOM 0 HB VAL A 52 5.526 -4.841 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.556 -3.847 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.267 -2.645 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.653 -2.708 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.689 -5.873 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.824 -4.920 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.520 -6.117 3.615 1.00 0.00 H new ATOM 819 N PRO A 53 3.059 -4.394 3.278 1.00 0.00 N ATOM 820 CA PRO A 53 2.781 -3.420 2.239 1.00 0.00 C ATOM 821 C PRO A 53 2.661 -2.069 2.931 1.00 0.00 C ATOM 822 O PRO A 53 2.352 -2.021 4.124 1.00 0.00 O ATOM 823 CB PRO A 53 1.426 -3.788 1.638 1.00 0.00 C ATOM 824 CG PRO A 53 0.723 -4.452 2.817 1.00 0.00 C ATOM 825 CD PRO A 53 1.864 -5.165 3.546 1.00 0.00 C ATOM 0 HA PRO A 53 3.550 -3.395 1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.886 -2.910 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.527 -4.465 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.231 -3.720 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.044 -5.152 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.668 -5.219 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.974 -6.189 3.190 1.00 0.00 H new ATOM 833 N GLN A 54 2.859 -0.984 2.196 1.00 0.00 N ATOM 834 CA GLN A 54 2.535 0.326 2.719 1.00 0.00 C ATOM 835 C GLN A 54 1.830 1.113 1.648 1.00 0.00 C ATOM 836 O GLN A 54 2.374 1.293 0.558 1.00 0.00 O ATOM 837 CB GLN A 54 3.742 1.034 3.314 1.00 0.00 C ATOM 838 CG GLN A 54 3.932 0.551 4.760 1.00 0.00 C ATOM 839 CD GLN A 54 4.823 1.532 5.469 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.348 2.391 6.206 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.097 1.530 5.150 1.00 0.00 N ATOM 0 H GLN A 54 3.237 -0.988 1.249 1.00 0.00 H new ATOM 0 HA GLN A 54 1.855 0.222 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.634 0.821 2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.595 2.114 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.969 0.477 5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.376 -0.444 4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.468 0.805 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.716 2.253 5.517 1.00 0.00 H new ATOM 850 N ILE A 55 0.591 1.487 1.956 1.00 0.00 N ATOM 851 CA ILE A 55 -0.311 2.140 1.039 1.00 0.00 C ATOM 852 C ILE A 55 -0.235 3.638 1.310 1.00 0.00 C ATOM 853 O ILE A 55 -0.109 4.090 2.458 1.00 0.00 O ATOM 854 CB ILE A 55 -1.761 1.616 1.154 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.915 0.089 1.332 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.563 1.998 -0.104 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.594 -0.471 2.720 1.00 0.00 C ATOM 0 H ILE A 55 0.185 1.335 2.879 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.008 1.920 0.015 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.133 2.087 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.941 -0.182 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.270 -0.406 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.583 1.624 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.582 3.083 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.092 1.558 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.739 -1.551 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.558 -0.244 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.256 -0.017 3.458 1.00 0.00 H new ATOM 869 N PHE A 56 -0.377 4.390 0.233 1.00 0.00 N ATOM 870 CA PHE A 56 -0.410 5.818 0.144 1.00 0.00 C ATOM 871 C PHE A 56 -1.541 6.151 -0.829 1.00 0.00 C ATOM 872 O PHE A 56 -1.423 5.810 -2.005 1.00 0.00 O ATOM 873 CB PHE A 56 0.924 6.265 -0.431 1.00 0.00 C ATOM 874 CG PHE A 56 2.111 6.068 0.479 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.375 7.012 1.482 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.973 4.970 0.293 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.538 6.892 2.256 1.00 0.00 C ATOM 878 CE2 PHE A 56 4.127 4.842 1.083 1.00 0.00 C ATOM 879 CZ PHE A 56 4.414 5.817 2.052 1.00 0.00 C ATOM 0 H PHE A 56 -0.482 3.961 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.572 6.308 1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.103 5.721 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.855 7.322 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.687 7.826 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.747 4.227 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.760 7.631 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.789 4.000 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.314 5.738 2.643 1.00 0.00 H new ATOM 889 N ILE A 57 -2.641 6.745 -0.370 1.00 0.00 N ATOM 890 CA ILE A 57 -3.761 7.116 -1.236 1.00 0.00 C ATOM 891 C ILE A 57 -3.648 8.617 -1.433 1.00 0.00 C ATOM 892 O ILE A 57 -3.831 9.361 -0.472 1.00 0.00 O ATOM 893 CB ILE A 57 -5.120 6.708 -0.624 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.183 5.185 -0.369 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.278 7.160 -1.539 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.358 4.777 0.519 1.00 0.00 C ATOM 0 H ILE A 57 -2.782 6.983 0.612 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.717 6.592 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.223 7.209 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.259 4.665 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.253 4.861 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.229 6.866 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.250 8.244 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.174 6.690 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.348 3.696 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.272 5.271 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.293 5.072 0.043 1.00 0.00 H new ATOM 908 N ASP A 58 -3.327 9.062 -2.648 1.00 0.00 N ATOM 909 CA ASP A 58 -3.176 10.461 -3.019 1.00 0.00 C ATOM 910 C ASP A 58 -2.204 11.108 -2.024 1.00 0.00 C ATOM 911 O ASP A 58 -2.528 12.041 -1.291 1.00 0.00 O ATOM 912 CB ASP A 58 -4.572 11.104 -3.105 1.00 0.00 C ATOM 913 CG ASP A 58 -5.177 11.087 -4.503 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.818 10.206 -5.312 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.053 11.934 -4.794 1.00 0.00 O ATOM 0 H ASP A 58 -3.159 8.428 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.737 10.603 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.244 10.582 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.507 12.136 -2.761 1.00 0.00 H new ATOM 920 N ALA A 59 -1.009 10.508 -1.935 1.00 0.00 N ATOM 921 CA ALA A 59 0.130 10.803 -1.072 1.00 0.00 C ATOM 922 C ALA A 59 -0.097 10.469 0.404 1.00 0.00 C ATOM 923 O ALA A 59 0.858 10.417 1.182 1.00 0.00 O ATOM 924 CB ALA A 59 0.535 12.264 -1.245 1.00 0.00 C ATOM 0 H ALA A 59 -0.800 9.713 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 59 0.941 10.147 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.386 12.484 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.811 12.445 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.302 12.908 -0.974 1.00 0.00 H new ATOM 930 N GLN A 60 -1.340 10.233 0.802 1.00 0.00 N ATOM 931 CA GLN A 60 -1.733 10.126 2.196 1.00 0.00 C ATOM 932 C GLN A 60 -1.334 8.758 2.735 1.00 0.00 C ATOM 933 O GLN A 60 -1.841 7.733 2.280 1.00 0.00 O ATOM 934 CB GLN A 60 -3.234 10.379 2.306 1.00 0.00 C ATOM 935 CG GLN A 60 -3.642 10.815 3.710 1.00 0.00 C ATOM 936 CD GLN A 60 -5.132 11.112 3.717 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.909 10.425 4.373 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.560 12.091 2.936 1.00 0.00 N ATOM 0 H GLN A 60 -2.116 10.109 0.151 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.221 10.873 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.525 11.147 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.775 9.471 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.410 10.031 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.079 11.699 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.892 12.646 2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.558 12.290 2.868 1.00 0.00 H new ATOM 947 N HIS A 61 -0.378 8.726 3.660 1.00 0.00 N ATOM 948 CA HIS A 61 0.192 7.505 4.207 1.00 0.00 C ATOM 949 C HIS A 61 -0.823 6.797 5.096 1.00 0.00 C ATOM 950 O HIS A 61 -1.062 7.204 6.235 1.00 0.00 O ATOM 951 CB HIS A 61 1.458 7.852 4.989 1.00 0.00 C ATOM 952 CG HIS A 61 2.105 6.677 5.679 1.00 0.00 C ATOM 953 ND1 HIS A 61 2.685 6.747 6.930 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.177 5.380 5.232 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.128 5.518 7.240 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.847 4.680 6.223 1.00 0.00 N ATOM 0 H HIS A 61 0.030 9.572 4.058 1.00 0.00 H new ATOM 0 HA HIS A 61 0.451 6.825 3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.180 8.300 4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.214 8.607 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.792 4.988 4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.629 5.245 8.157 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.089 3.690 6.188 1.00 0.00 H new ATOM 965 N ILE A 62 -1.377 5.708 4.582 1.00 0.00 N ATOM 966 CA ILE A 62 -2.348 4.885 5.276 1.00 0.00 C ATOM 967 C ILE A 62 -1.622 4.069 6.346 1.00 0.00 C ATOM 968 O ILE A 62 -1.996 4.119 7.517 1.00 0.00 O ATOM 969 CB ILE A 62 -3.070 4.004 4.235 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.553 4.800 3.000 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.234 3.237 4.868 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.386 6.049 3.322 1.00 0.00 C ATOM 0 H ILE A 62 -1.156 5.367 3.647 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.104 5.485 5.783 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.329 3.288 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.683 5.102 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.146 4.138 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.722 2.626 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.857 2.595 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.953 3.944 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.679 6.540 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.279 5.758 3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.793 6.736 3.925 1.00 0.00 H new ATOM 984 N GLY A 63 -0.578 3.336 5.952 1.00 0.00 N ATOM 985 CA GLY A 63 0.110 2.351 6.775 1.00 0.00 C ATOM 986 C GLY A 63 -0.003 0.999 6.093 1.00 0.00 C ATOM 987 O GLY A 63 0.160 0.946 4.874 1.00 0.00 O ATOM 0 H GLY A 63 -0.178 3.418 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.157 2.626 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.332 2.312 7.771 1.00 0.00 H new ATOM 991 N GLY A 64 -0.225 -0.067 6.862 1.00 0.00 N ATOM 992 CA GLY A 64 -0.143 -1.458 6.441 1.00 0.00 C ATOM 993 C GLY A 64 -1.444 -2.017 5.870 1.00 0.00 C ATOM 994 O GLY A 64 -2.414 -1.281 5.679 1.00 0.00 O ATOM 0 H GLY A 64 -0.480 0.026 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.641 -1.553 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.158 -2.067 7.294 1.00 0.00 H new ATOM 998 N TYR A 65 -1.476 -3.331 5.592 1.00 0.00 N ATOM 999 CA TYR A 65 -2.680 -3.985 5.074 1.00 0.00 C ATOM 1000 C TYR A 65 -3.863 -3.720 5.998 1.00 0.00 C ATOM 1001 O TYR A 65 -4.918 -3.316 5.527 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.525 -5.504 4.811 1.00 0.00 C ATOM 1003 CG TYR A 65 -3.856 -6.245 4.858 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.867 -5.936 3.930 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.138 -7.137 5.910 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.127 -6.553 3.992 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.410 -7.730 6.006 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.403 -7.462 5.039 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.616 -8.068 5.132 1.00 0.00 O ATOM 0 H TYR A 65 -0.681 -3.957 5.719 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.861 -3.539 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.063 -5.655 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.849 -5.930 5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.670 -5.210 3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.378 -7.366 6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.878 -6.335 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.629 -8.397 6.827 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.288 -7.413 5.413 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.709 -3.961 7.294 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.827 -3.891 8.227 1.00 0.00 C ATOM 1021 C ASP A 66 -5.225 -2.430 8.490 1.00 0.00 C ATOM 1022 O ASP A 66 -6.350 -2.172 8.905 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.455 -4.668 9.488 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.368 -4.438 10.688 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.574 -4.744 10.607 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.837 -4.078 11.768 1.00 0.00 O ATOM 0 H ASP A 66 -2.818 -4.207 7.724 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.717 -4.357 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.454 -5.732 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.436 -4.403 9.771 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.359 -1.453 8.189 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.724 -0.029 8.188 1.00 0.00 C ATOM 1033 C ASP A 67 -5.655 0.256 7.007 1.00 0.00 C ATOM 1034 O ASP A 67 -6.704 0.878 7.154 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.493 0.884 8.063 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.592 0.877 9.290 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.841 1.695 10.208 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.613 0.091 9.306 1.00 0.00 O ATOM 0 H ASP A 67 -3.385 -1.627 7.939 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.215 0.181 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.911 0.575 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.827 1.904 7.876 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.270 -0.212 5.819 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.025 -0.104 4.571 1.00 0.00 C ATOM 1045 C LEU A 68 -7.375 -0.795 4.686 1.00 0.00 C ATOM 1046 O LEU A 68 -8.412 -0.229 4.352 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.129 -0.700 3.464 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.691 -0.959 2.056 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.584 -2.197 1.936 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.375 0.281 1.497 1.00 0.00 C ATOM 0 H LEU A 68 -4.382 -0.699 5.696 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.262 0.932 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.273 -0.035 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.747 -1.650 3.837 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.820 -1.187 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.932 -2.296 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.015 -3.084 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.442 -2.093 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.761 0.065 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.198 0.569 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.656 1.098 1.438 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.365 -2.027 5.161 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.532 -2.851 5.390 1.00 0.00 C ATOM 1064 C TYR A 69 -9.474 -2.191 6.401 1.00 0.00 C ATOM 1065 O TYR A 69 -10.693 -2.251 6.232 1.00 0.00 O ATOM 1066 CB TYR A 69 -7.991 -4.177 5.909 1.00 0.00 C ATOM 1067 CG TYR A 69 -8.978 -5.295 6.095 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.763 -5.712 5.008 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -8.984 -6.025 7.295 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.544 -6.872 5.101 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.776 -7.176 7.400 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.574 -7.596 6.313 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.300 -8.739 6.408 1.00 0.00 O ATOM 0 H TYR A 69 -6.497 -2.502 5.409 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.120 -2.991 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.218 -4.519 5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.505 -3.992 6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.765 -5.135 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.382 -5.701 8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.119 -7.210 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.776 -7.745 8.318 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.209 -9.110 7.310 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.925 -1.535 7.429 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.686 -0.740 8.375 1.00 0.00 C ATOM 1085 C ALA A 70 -10.273 0.506 7.706 1.00 0.00 C ATOM 1086 O ALA A 70 -11.422 0.851 7.978 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.797 -0.365 9.565 1.00 0.00 C ATOM 0 H ALA A 70 -7.924 -1.547 7.623 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.525 -1.334 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.371 0.232 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.445 -1.272 10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.942 0.212 9.213 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.511 1.233 6.882 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.018 2.364 6.113 1.00 0.00 C ATOM 1095 C LEU A 71 -11.195 1.929 5.238 1.00 0.00 C ATOM 1096 O LEU A 71 -12.215 2.616 5.164 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.862 2.971 5.310 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.291 4.124 4.388 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.804 5.335 5.171 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.110 4.548 3.521 1.00 0.00 C ATOM 0 H LEU A 71 -8.519 1.048 6.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.405 3.138 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.102 3.334 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.399 2.189 4.708 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.111 3.760 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.094 6.122 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.667 5.043 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.016 5.704 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.414 5.365 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.291 4.879 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.781 3.703 2.916 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.071 0.779 4.577 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.137 0.212 3.766 1.00 0.00 C ATOM 1114 C ASP A 72 -13.340 -0.180 4.616 1.00 0.00 C ATOM 1115 O ASP A 72 -14.475 0.061 4.210 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.635 -0.960 2.920 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.702 -1.379 1.910 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.077 -0.537 1.066 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.148 -2.548 1.934 1.00 0.00 O ATOM 0 H ASP A 72 -10.222 0.214 4.592 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.470 0.988 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.722 -0.676 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.384 -1.802 3.565 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.115 -0.663 5.840 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.191 -0.961 6.788 1.00 0.00 C ATOM 1126 C ALA A 73 -14.913 0.309 7.253 1.00 0.00 C ATOM 1127 O ALA A 73 -16.090 0.265 7.604 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.647 -1.715 8.004 1.00 0.00 C ATOM 0 H ALA A 73 -12.182 -0.859 6.202 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.912 -1.589 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.462 -1.927 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.195 -2.652 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.896 -1.104 8.505 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.237 1.460 7.236 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.863 2.763 7.452 1.00 0.00 C ATOM 1136 C ARG A 74 -15.612 3.258 6.224 1.00 0.00 C ATOM 1137 O ARG A 74 -16.200 4.338 6.267 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.817 3.795 7.917 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.317 4.682 9.073 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.186 4.054 10.464 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.130 2.941 10.664 1.00 0.00 N ATOM 1142 CZ ARG A 74 -14.817 1.654 10.864 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.567 1.277 11.099 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -15.764 0.730 10.821 1.00 0.00 N ATOM 0 H ARG A 74 -13.232 1.513 7.070 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.605 2.638 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.914 3.272 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.540 4.428 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.762 5.620 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.364 4.928 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.167 3.693 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.360 4.817 11.223 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.123 3.174 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.822 1.973 11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.351 0.291 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.730 0.998 10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.527 -0.250 10.973 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.536 2.538 5.107 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.020 3.025 3.827 1.00 0.00 C ATOM 1160 C GLY A 75 -15.262 4.283 3.409 1.00 0.00 C ATOM 1161 O GLY A 75 -15.839 5.146 2.747 1.00 0.00 O ATOM 0 H GLY A 75 -15.136 1.600 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.899 2.252 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.086 3.242 3.894 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.002 4.433 3.828 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.150 5.553 3.463 1.00 0.00 C ATOM 1167 C GLY A 76 -12.322 5.242 2.221 1.00 0.00 C ATOM 1168 O GLY A 76 -12.017 6.155 1.457 1.00 0.00 O ATOM 0 H GLY A 76 -13.542 3.761 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.764 6.435 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.486 5.793 4.294 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.005 3.965 1.980 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.176 3.557 0.848 1.00 0.00 C ATOM 1174 C LEU A 77 -11.992 3.673 -0.433 1.00 0.00 C ATOM 1175 O LEU A 77 -11.543 4.294 -1.394 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.711 2.100 1.027 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.903 1.564 -0.173 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.575 2.312 -0.288 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.649 0.061 -0.044 1.00 0.00 C ATOM 0 H LEU A 77 -12.317 3.189 2.565 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.300 4.203 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.101 2.029 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.583 1.464 1.182 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.490 1.731 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.012 1.926 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.768 3.375 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.997 2.169 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.078 -0.287 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.086 -0.136 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.602 -0.467 -0.004 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.175 3.056 -0.436 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.034 2.946 -1.609 1.00 0.00 C ATOM 1193 C ASP A 78 -14.260 4.301 -2.292 1.00 0.00 C ATOM 1194 O ASP A 78 -13.870 4.429 -3.445 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.341 2.213 -1.269 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.832 1.372 -2.447 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.178 0.343 -2.721 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.924 1.657 -2.987 1.00 0.00 O ATOM 0 H ASP A 78 -13.567 2.612 0.394 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.515 2.334 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.185 1.571 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.106 2.939 -0.994 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.757 5.364 -1.629 1.00 0.00 N ATOM 1204 CA PRO A 79 -15.033 6.626 -2.310 1.00 0.00 C ATOM 1205 C PRO A 79 -13.774 7.396 -2.736 1.00 0.00 C ATOM 1206 O PRO A 79 -13.911 8.385 -3.460 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.883 7.434 -1.329 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.390 6.948 0.027 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.162 5.461 -0.234 1.00 0.00 C ATOM 0 HA PRO A 79 -15.547 6.438 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.733 8.507 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.948 7.243 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.474 7.454 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.126 7.116 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.392 5.061 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.070 4.887 -0.049 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.568 6.994 -2.315 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.322 7.533 -2.855 1.00 0.00 C ATOM 1219 C LEU A 80 -10.980 6.787 -4.143 1.00 0.00 C ATOM 1220 O LEU A 80 -10.647 7.415 -5.144 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.171 7.418 -1.836 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.317 8.368 -0.630 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.378 7.971 0.516 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.026 9.824 -1.008 1.00 0.00 C ATOM 0 H LEU A 80 -12.433 6.287 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.456 8.594 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.118 6.391 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.228 7.627 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.354 8.281 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.508 8.662 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.613 6.959 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.345 8.010 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.141 10.458 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.006 9.905 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.724 10.146 -1.781 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.057 5.453 -4.138 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.696 4.597 -5.272 1.00 0.00 C ATOM 1238 C LEU A 81 -11.810 4.443 -6.314 1.00 0.00 C ATOM 1239 O LEU A 81 -11.628 3.740 -7.318 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.265 3.215 -4.744 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.765 3.163 -4.413 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.416 1.829 -3.753 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.912 3.324 -5.681 1.00 0.00 C ATOM 0 H LEU A 81 -11.380 4.926 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.873 5.088 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.841 2.973 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.498 2.454 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.549 3.985 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.351 1.804 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.988 1.718 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.660 1.012 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.855 3.283 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.142 2.519 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.132 4.284 -6.148 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.964 5.067 -6.109 1.00 0.00 N ATOM 1256 CA LYS A 82 -14.169 4.876 -6.899 1.00 0.00 C ATOM 1257 C LYS A 82 -14.797 6.204 -7.258 1.00 0.00 C ATOM 1258 O LYS A 82 -15.653 6.215 -8.168 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.043 3.792 -6.233 1.00 0.00 C ATOM 1260 CG LYS A 82 -16.395 4.228 -5.640 1.00 0.00 C ATOM 1261 CD LYS A 82 -17.567 3.820 -6.530 1.00 0.00 C ATOM 1262 CE LYS A 82 -17.751 2.299 -6.513 1.00 0.00 C ATOM 1263 NZ LYS A 82 -18.565 1.846 -7.655 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.263 7.260 -6.861 1.00 0.00 O ATOM 0 H LYS A 82 -13.088 5.746 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.965 4.464 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.236 3.015 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.459 3.334 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.518 3.784 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.401 5.310 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.479 4.306 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.391 4.159 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.776 1.812 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.229 1.999 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.672 0.812 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.503 2.293 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.095 2.112 -8.544 1.00 0.00 H new TER 1278 LYS A 82